Geometry & MOs

Info

ID:	70279
PubChem CID:	48413132
Reduced:	S2N3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	419.12634
ΔH_f, kcal/mol:	-17.98
Dipole, Da:	4.88
IP(EA), eV:	-9.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2,4-dioxopyrimidine-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations